4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine

C16H12Cl2N4 — CID 24990163

IUPAC4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
SMILESCc1c(-c2ccnc(Nc3cccc(Cl)c3)n2)ccnc1Cl
InChIInChI=1S/C16H12Cl2N4/c1-10-13(5-7-19-15(10)18)14-6-8-20-16(22-14)21-12-4-2-3-11(17)9-12/h2-9H,1H3,(H,20,21,22)
InChIKeyDPTGKKYSYSPYKV-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.90
Rot. Bonds3

About 4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine

4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine (PubChem CID 24990163) has the molecular formula C16H12Cl2N4 and a molecular weight of 331.21 g/mol. Its IUPAC name is 4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
PubChem CID24990163
Molecular FormulaC16H12Cl2N4
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
SMILESCc1c(-c2ccnc(Nc3cccc(Cl)c3)n2)ccnc1Cl
InChIInChI=1S/C16H12Cl2N4/c1-10-13(5-7-19-15(10)18)14-6-8-20-16(22-14)21-12-4-2-3-11(17)9-12/h2-9H,1H3,(H,20,21,22)
InChIKeyDPTGKKYSYSPYKV-UHFFFAOYSA-N
XLogP4.90
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
CID 11957767
4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 24990162
N'-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-3-methyl-2-pyridinyl]-N,N'-dimethylpropane-1,3-diamine
CID 24990525
N-(3-chlorophenyl)-4-[2-(3-imidazol-1-ylpropylamino)-3-methyl-4-pyridinyl]pyrimidin-2-amine
CID 24991254
N-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine
CID 22273498
N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine
CID 67364353
1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethanone
CID 67365361
4-[2-(aminomethyl)-4-pyridinyl]-N-(3-chlorophenyl)pyrimidin-2-amine
CID 67365498
N-(3-chlorophenyl)-4-(1,3-thiazol-5-yl)pyrimidin-2-amine
CID 91806914
N-(3-chlorophenyl)-4-[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-amine
CID 11509378
N'-[3-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethane-1,2-diamine
CID 24986837
2-[4-[2-(3-chloroanilino)pyrimidin-4-yl]indol-1-yl]-N,N-dimethylacetamide
CID 24961036

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine (CID 24990163) is 4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine is Cc1c(-c2ccnc(Nc3cccc(Cl)c3)n2)ccnc1Cl.
What is the InChIKey of 4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine?
The InChIKey is DPTGKKYSYSPYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4/c1-10-13(5-7-19-15(10)18)14-6-8-20-16(22-14)21-12-4-2-3-11(17)9-12/h2-9H,1H3,(H,20,21,22).
What are the key properties of 4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine?
4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine has a molecular weight of 331.21 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 24990163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).